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Information card for entry 8107684
Preview
| Coordinates | 8107684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 N4 |
|---|---|
| Calculated formula | C10 H14 N4 |
| Title of publication | Crystal structure of 6,6a,7,8,9,10-hexahydro-5H-pyrazino [2,3-e]pyrido[1,2-a]pyrazine, C10H14N4 |
| Authors of publication | Dali, Zhu; Yu, Yu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1137 - 1139 |
| a | 15.5356 ± 0.0002 Å |
| b | 9.8551 ± 0.0002 Å |
| c | 25.5551 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3912.61 ± 0.11 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0918 |
| Residual factor for significantly intense reflections | 0.0873 |
| Weighted residual factors for significantly intense reflections | 0.2435 |
| Weighted residual factors for all reflections included in the refinement | 0.2481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287804 (current) | 2023-11-27 | cif/ Adding structures of 8107684 via cif-deposit CGI script. |
8107684.cif |
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Users of the data should acknowledge the original authors of the
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